[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C12H14FN5O2 — CID 169165352

IUPAC[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCC(C)(F)c1nnc(C(=O)N2CCc3nc[nH]c3C2)o1
InChIInChI=1S/C12H14FN5O2/c1-12(2,13)11-17-16-9(20-11)10(19)18-4-3-7-8(5-18)15-6-14-7/h6H,3-5H2,1-2H3,(H,14,15)
InChIKeyVTUXIJFSUZNHIZ-UHFFFAOYSA-N
MW279.27 g/mol
LogP1.20
Rot. Bonds2

About [5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 169165352) has the molecular formula C12H14FN5O2 and a molecular weight of 279.27 g/mol. Its IUPAC name is [5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID169165352
Molecular FormulaC12H14FN5O2
Molecular Weight279.27 g/mol
Exact Mass279.11
IUPAC Name[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCC(C)(F)c1nnc(C(=O)N2CCc3nc[nH]c3C2)o1
InChIInChI=1S/C12H14FN5O2/c1-12(2,13)11-17-16-9(20-11)10(19)18-4-3-7-8(5-18)15-6-14-7/h6H,3-5H2,1-2H3,(H,14,15)
InChIKeyVTUXIJFSUZNHIZ-UHFFFAOYSA-N
XLogP1.20
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 169165352) is [5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is CC(C)(F)c1nnc(C(=O)N2CCc3nc[nH]c3C2)o1.
What is the InChIKey of [5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is VTUXIJFSUZNHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O2/c1-12(2,13)11-17-16-9(20-11)10(19)18-4-3-7-8(5-18)15-6-14-7/h6H,3-5H2,1-2H3,(H,14,15).
What are the key properties of [5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 279.27 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 169165352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).